Dataset

Scoparone; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR303603 contains the MS2 mass spectrum of Scoparone with the InChIkey GUAFOGOEJLSQBT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
SMILES COC1=C(OC)C=C2C=CC(=O)OC2=C1
InChI Key GUAFOGOEJLSQBT-UHFFFAOYSA-N
Molecular Formula C11H10O4
Exact Mass 206.197 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303603
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 6,7-dimethoxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3486326 ChemicalBook
    HMDB0030818 Human Metabolome Database
    97143 Brenda
    SCHEMBL240777 SureChEMBL
    MCULE-1591753422 Mcule
    PD044382 ProbesDrugs
    14773197 PubChem: Thomson Pharma
    120-08-1 ACToR
    H5841PDT4Y FDA SRS
    MTBLC9055 Metabolights
    60021232 NMRShiftDB
    8417 PubChem
    492331 eMolecules
    CHEMBL325864 ChEMBL
    C09311 KEGG Ligand
    12015297 PubChem: Drugs of the Future
    HY-N0228 MedChemExpress
    POBZEO CCDC
    DTXSID10152640 EPA CompTox Dashboard
    9055 ChEBI
    J5.319H Nikkaji
    ZINC000000002067 ZINC
    50361374 BindingDB
    The data in this table is sourced from UniChem at EBI.